Compound Detail
CHEMBL1788287
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Basic Information
| ChEMBL ID | CHEMBL1788287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZPKOWYCGWOYRF-ZETCQYMHSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.1
MW (Da)
2.18
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.27
Ki 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.74 | 5.74 | 1820.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1820.0 | nM | 5.74 | Inhibition of [3H]PIA binding to rat cortical adenosine A1 receptor | 1433217 |
| Rattus norvegicus | IC50 | = | 5400.0 | nM | 5.27 | In vitro inhibition of synaptic potential in the hippocampal formation (synaptic... | 1433217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433217 | 10.1021/jm00100a020 | Rattus norvegicus | 1 |
| 1433217 | 10.1021/jm00100a020 | Adenosine receptor A1 | 1 |
Data from ChEMBL 36 via Core Engine